4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine

C15H22N6 — CID 3337328

IUPAC4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1CCC1=CCCCC1
InChIInChI=1S/C15H22N6/c1-11-18-19-15(13-10-17-20(2)14(13)16)21(11)9-8-12-6-4-3-5-7-12/h6,10H,3-5,7-9,16H2,1-2H3
InChIKeyLNHLQOJRPULODG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.46
Rot. Bonds4

About 4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine

4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine (PubChem CID 3337328) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
PubChem CID3337328
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1CCC1=CCCCC1
InChIInChI=1S/C15H22N6/c1-11-18-19-15(13-10-17-20(2)14(13)16)21(11)9-8-12-6-4-3-5-7-12/h6,10H,3-5,7-9,16H2,1-2H3
InChIKeyLNHLQOJRPULODG-UHFFFAOYSA-N
XLogP2.46
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine (CID 3337328) is 4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine is Cc1nnc(-c2cnn(C)c2N)n1CCC1=CCCCC1.
What is the InChIKey of 4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The InChIKey is LNHLQOJRPULODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-11-18-19-15(13-10-17-20(2)14(13)16)21(11)9-8-12-6-4-3-5-7-12/h6,10H,3-5,7-9,16H2,1-2H3.
What are the key properties of 4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine has a molecular weight of 286.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 3337328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).